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Amoxicillin Impurity 8

CAT: 1299-RM-A132434-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A132434-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088960-44-3
Synonyms
(4S) -2- (1- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -2-methoxy-2-oxoethyl) -5,5-dimethylthiazolidine-4-carboxylic acid
Molecular Formula
C17H23N3O6S
Molecular Weight
397.45
Target Alternative Name
Amoxicillin
Product Name Synonym
(4S) -2- (1- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -2-methoxy-2-oxoethyl) -5,5-dimethylthiazolidine-4-carboxylic acid

Chemical Information

(4S)-2-(1-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-methoxy-2-oxoethyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS Number2088960-44-3
PubChem CID165428964
IUPAC Name(4S)-2-[1-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC17H23N3O6S
Molecular Weight397.4
XLogP-1.9
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
CC1([C@@H](NC(S1)C(C(=O)OC)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)O)C
InChI
InChI=1S/C17H23N3O6S/c1-17(2)12(15(23)24)20-14(27-17)11(16(25)26-3)19-13(22)10(18)8-4-6-9(21)7-5-8/h4-7,10-12,14,20-21H,18H2,1-3H3,(H,19,22)(H,23,24)/t10-,11?,12+,14?/m1/s1
InChIKey
QKTLHABRTBGSQT-JJMZSNKZSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-(1-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-methoxy-2-oxoethyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS: 2088960-44-3
CID: 165428964
Formula: C17H23N3O6S
MW: 397.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.4
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass397.13075664
Monoisotopic Mass397.13075664
Topological Polar Surface Area176 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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